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Clozapine Analogues

CAT: 0931-T84365-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T84365-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124380-97-8
Target
Others
Related Pathways
Others
Purity
0.996
Bioactivity
Clozapine Analogues can be used to study neurological disorders.
Smiles
O=C1C=2C=CC=CC2C=C(C3=CC(Cl)=CC=C13)N4CCN(C)CC4
Molecular Formula
C20H19ClN2O
Molecular Weight
338.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clozapine Analogues
CAS Number124380-97-8
PubChem CID172004169
IUPAC Name6-chloro-9-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Molecular FormulaC20H19ClN2O
Molecular Weight338.8
XLogP4.1
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity512
SMILES
CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H19ClN2O/c1-22-8-10-23(11-9-22)19-12-14-4-2-3-5-16(14)20(24)17-7-6-15(21)13-18(17)19/h2-7,12-13H,8-11H2,1H3
InChIKey
VXBLEHJKAURZBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clozapine Analogues
CAS: 124380-97-8
CID: 172004169
Formula: C20H19ClN2O
MW: 338.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.8
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass338.1185909
Monoisotopic Mass338.1185909
Topological Polar Surface Area23.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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